BDBM10020 (2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate::JMC503540 Compound 5::YM511 Analog 5::YM511-based dual aromatase-sulfatase inhibitor (DASI) 7::dual aromatase-sulfatase inhibitor 7

SMILES: c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3

InChI Key: InChIKey=GHDKYBCUDPSXGJ-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 10020   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.820	n/a	n/a	n/a	n/a	7.5	37
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Steryl-sulfatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	37
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Carbonic anhydrase 2 (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	137	n/a	n/a	n/a	n/a	7.8	20
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					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.820	n/a	n/a	n/a	n/a	7.5	37
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					More data for this Ligand-Target Pair
Steryl-sulfatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steryl-sulfatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steryl-sulfatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steryl-sulfatase (Human)	BDBM10020 (YM511-based dual aromatase-sulfatase inhibitor (DA...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair